SCHEMBL2124623

SCHEMBL2124623

CC(C)(C)C(=O)CCCCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.55
CES1 P23141 3/20 0.50
NAAA Q02083 1/20 0.47
LMNA P02545 1/20 0.44
HPGD P15428 2/20 0.44
FFAR1 O14842 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Oxalic Acid SCHEMBL27262722 0.83 FFAR1 (0.50) LMNAHPGDFFAR1
SCHEMBL10363727 0.82 FAAH (0.67) FAAHCES1
SCHEMBL25834773 0.81 FAAH (0.70) FAAHCES1
SCHEMBL13246809 0.81 FAAH (0.70) FAAHCES1
SCHEMBL13246810 0.81 FAAH (0.70) FAAHCES1
SCHEMBL19148811 0.81 FAAH (0.70) FAAHCES1
SCHEMBL11536859 0.80 NAAA (0.50) FAAHNAAALMNAHPGDFFAR1
SCHEMBL11638377 0.79 FAAH (0.50) FAAHCES1NAAALMNAHPGD
SCHEMBL28775936 0.79 FAAH (0.63) FAAHCES1LMNAFFAR1
SCHEMBL414487 0.78 MAPT (0.66) NAAALMNAFFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108422-A1 Antifungal 1,2,4-triazolyl Derivatives BASF SE (DE) 2012-05-03 US disclosed
EP-2443097-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2012-04-25 EP disclosed
WO-2010146111-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2010-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120108422-A1 Antifungal 1,2,4-triazolyl Derivatives ERG28, CYP51A1, DPM1 FAAH 4669/4885CES1 2279/4885NAAA 2029/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.